CID 121046

Brn 0864293

Structural Information

Molecular Formula
C28H31N3O
SMILES
COC1=CC2=C(C=C1)N(C=C2CCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C28H31N3O/c1-32-26-12-13-28-27(20-26)24(22-31(28)21-23-8-4-2-5-9-23)14-15-29-16-18-30(19-17-29)25-10-6-3-7-11-25/h2-13,20,22H,14-19,21H2,1H3
InChIKey
AEYUVJYIUPQQMJ-UHFFFAOYSA-N
Compound name
1-benzyl-5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2467 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25398 208.1
[M+Na]+ 448.23592 213.4
[M-H]- 424.23942 216.5
[M+NH4]+ 443.28052 215.5
[M+K]+ 464.20986 204.8
[M+H-H2O]+ 408.24396 194.1
[M+HCOO]- 470.24490 223.4
[M+CH3COO]- 484.26055 215.2
[M+Na-2H]- 446.22137 207.7
[M]+ 425.24615 206.9
[M]- 425.24725 206.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.